(2S,4R)-4-hydroxy-5-oxo-4-[(2R,3R,4S)-2,3,4-trihydroxyoxolan-2-yl]pyrrolidine-2-carboxylic acid

C9H13NO8 — CID 162978131

IUPAC(2S,4R)-4-hydroxy-5-oxo-4-[(2R,3R,4S)-2,3,4-trihydroxyoxolan-2-yl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@@](O)([C@]2(O)OC[C@H](O)[C@H]2O)C(=O)N1
InChIInChI=1S/C9H13NO8/c11-4-2-18-9(17,5(4)12)8(16)1-3(6(13)14)10-7(8)15/h3-5,11-12,16-17H,1-2H2,(H,10,15)(H,13,14)/t3-,4-,5+,8-,9+/m0/s1
InChIKeyFLVJBXHFHKVHJN-VRTAGHHQSA-N
MW263.20 g/mol
LogP-3.87
Rot. Bonds2

About (2S,4R)-4-hydroxy-5-oxo-4-[(2R,3R,4S)-2,3,4-trihydroxyoxolan-2-yl]pyrrolidine-2-carboxylic acid

(2S,4R)-4-hydroxy-5-oxo-4-[(2R,3R,4S)-2,3,4-trihydroxyoxolan-2-yl]pyrrolidine-2-carboxylic acid (PubChem CID 162978131) has the molecular formula C9H13NO8 and a molecular weight of 263.20 g/mol. Its IUPAC name is (2S,4R)-4-hydroxy-5-oxo-4-[(2R,3R,4S)-2,3,4-trihydroxyoxolan-2-yl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4R)-4-hydroxy-5-oxo-4-[(2R,3R,4S)-2,3,4-trihydroxyoxolan-2-yl]pyrrolidine-2-carboxylic acid
PubChem CID162978131
Molecular FormulaC9H13NO8
Molecular Weight263.20 g/mol
Exact Mass263.06
IUPAC Name(2S,4R)-4-hydroxy-5-oxo-4-[(2R,3R,4S)-2,3,4-trihydroxyoxolan-2-yl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@@](O)([C@]2(O)OC[C@H](O)[C@H]2O)C(=O)N1
InChIInChI=1S/C9H13NO8/c11-4-2-18-9(17,5(4)12)8(16)1-3(6(13)14)10-7(8)15/h3-5,11-12,16-17H,1-2H2,(H,10,15)(H,13,14)/t3-,4-,5+,8-,9+/m0/s1
InChIKeyFLVJBXHFHKVHJN-VRTAGHHQSA-N
XLogP-3.87
TPSA156.55 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500263.20
LogP ≤ 5-3.87
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Analyze (2S,4R)-4-hydroxy-5-oxo-4-[(2R,3R,4S)-2,3,4-trihydroxyoxolan-2-yl]pyrrolidine-2-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

Ascorbalamic acid
CID 71437684
5-Oxo-4-(2,3,4-trihydroxyoxolan-2-yl)pyrrolidine-2-carboxylic acid
CID 162928959
(2S,4R)-5-oxo-4-[(2R,3S,4R)-2,3,4-trihydroxyoxolan-2-yl]pyrrolidine-2-carboxylic acid
CID 162928960
Methyl 2-(methyl-d-ribo-1,4-furanosylcarbonyl)-(aminoacetyl)aminoacetate
CID 129709391
L-Proline, 4-methoxy-1-methyl-5-oxo-4-(tetrahydro-2,3,4-trimethoxy-2-furanyl)-, methyl ester
CID 22217235
2-(Hydroxymethyl)-2-methoxy-6a-methyl-4-oxo-3,3a,5,6-tetrahydrofuro[2,3-c]pyrrole-6-carboxylic acid
CID 156278200
Methyl 4-methoxy-1-methyl-5-oxo-4-(2,3,4-trimethoxyoxolan-2-yl)pyrrolidine-2-carboxylate
CID 595058
(2S)-4-hydroxy-5-oxo-4-(2,3,4-trihydroxyoxolan-2-yl)pyrrolidine-2-carboxylic acid
CID 90472498
methyl (2S,3R,4S)-4-hydroxy-2-[(4S,5R)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-oxopyrrolidine-3-carboxylate
CID 102423162
(2S,4R)-4-hydroxy-5-oxo-4-[(2S,3S,4R)-2,3,4-trihydroxyoxolan-2-yl]pyrrolidine-2-carboxylic acid
CID 162978130

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-hydroxy-5-oxo-4-[(2R,3R,4S)-2,3,4-trihydroxyoxolan-2-yl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4R)-4-hydroxy-5-oxo-4-[(2R,3R,4S)-2,3,4-trihydroxyoxolan-2-yl]pyrrolidine-2-carboxylic acid (CID 162978131) is (2S,4R)-4-hydroxy-5-oxo-4-[(2R,3R,4S)-2,3,4-trihydroxyoxolan-2-yl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4R)-4-hydroxy-5-oxo-4-[(2R,3R,4S)-2,3,4-trihydroxyoxolan-2-yl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4R)-4-hydroxy-5-oxo-4-[(2R,3R,4S)-2,3,4-trihydroxyoxolan-2-yl]pyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1C[C@@](O)([C@]2(O)OC[C@H](O)[C@H]2O)C(=O)N1.
What is the InChIKey of (2S,4R)-4-hydroxy-5-oxo-4-[(2R,3R,4S)-2,3,4-trihydroxyoxolan-2-yl]pyrrolidine-2-carboxylic acid?
The InChIKey is FLVJBXHFHKVHJN-VRTAGHHQSA-N. The full InChI is InChI=1S/C9H13NO8/c11-4-2-18-9(17,5(4)12)8(16)1-3(6(13)14)10-7(8)15/h3-5,11-12,16-17H,1-2H2,(H,10,15)(H,13,14)/t3-,4-,5+,8-,9+/m0/s1.
What are the key properties of (2S,4R)-4-hydroxy-5-oxo-4-[(2R,3R,4S)-2,3,4-trihydroxyoxolan-2-yl]pyrrolidine-2-carboxylic acid?
(2S,4R)-4-hydroxy-5-oxo-4-[(2R,3R,4S)-2,3,4-trihydroxyoxolan-2-yl]pyrrolidine-2-carboxylic acid has a molecular weight of 263.20 g/mol, XLogP of -3.87, 2 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-hydroxy-5-oxo-4-[(2R,3R,4S)-2,3,4-trihydroxyoxolan-2-yl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 162978131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).